Chemical Properties of Hydratropic acid, isohexyl ester

Hydratropic acid, isohexyl ester

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InChI
InChI=1S/C15H22O2/c1-12(2)8-7-11-17-15(16)13(3)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3
InChI Key
MIKSASOGRXFXRG-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
CC(C)CCCOC(=O)C(C)c1ccccc1
Molecular Weight1
234.33
Sources

Physical Properties

Property Value Unit Source
Δf -50.97 kJ/mol Joback Calculated Property
Δfgas -371.76 kJ/mol Joback Calculated Property
Δfus 24.39 kJ/mol Joback Calculated Property
Δvap 59.64 kJ/mol Joback Calculated Property
logPoct/wat 3.77 Crippen Calculated Property
Pc 1949.23 kPa Joback Calculated Property
Tboil 644.69 K Joback Calculated Property
Tc 849.49 K Joback Calculated Property
Tfus 327.39 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 547.27 J/mol×K 644.69 Joback Calculated Property
η 0.00 Pa×s 644.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
>C=O (nonring) 1

Similar Compounds

Hydratropic acid, pentyl ester. Hydratropic acid, hexyl ester. Hydratropic acid, heptyl ester. Hydratropic acid, butyl ester. Hydratropic acid, tetradecyl ester. Hydratropic acid, octadecyl ester. Hydratropic acid, heptadecyl ester. Hydratropic acid, octyl ester. Hydratropic acid, decyl ester. Hydratropic acid, nonyl ester. Hydratropic acid, pentadecyl ester. Hydratropic acid, undecyl ester. Hydratropic acid, hexadecyl ester. Hydratropic acid, dodecyl ester. Hydratropic acid, tridecyl ester.

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